3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine

C46H31N5 — CID 168835790

About 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine

3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 168835790) has the molecular formula C46H31N5 and a molecular weight of 653.79 g/mol. Its IUPAC name is 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 168835790
• Molecular Formula: C46H31N5
• Molecular Weight: 653.79 g/mol
• Exact Mass: 653.26
• IUPAC Name: 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccn6c5-c5ccccc5)c4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C46H31N5/c1-4-15-33(16-5-1)39-23-10-11-24-40(39)46-49-44(35-19-8-3-9-20-35)48-45(50-46)36-28-26-32(27-29-36)37-21-14-22-38(31-37)42-43(34-17-6-2-7-18-34)51-30-13-12-25-41(51)47-42/h1-31H
• InChIKey: TVKMJBRCTOYZPG-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.79
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine (CID 168835790) is 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccn6c5-c5ccccc5)c4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

The InChIKey is TVKMJBRCTOYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5/c1-4-15-33(16-5-1)39-23-10-11-24-40(39)46-49-44(35-19-8-3-9-20-35)48-45(50-46)36-28-26-32(27-29-36)37-21-14-22-38(31-37)42-43(34-17-6-2-7-18-34)51-30-13-12-25-41(51)47-42/h1-31H.

What are the key properties of 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 653.79 g/mol, XLogP of 11.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 168835790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).